1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine

C17H27ClN2O — CID 102744251

IUPAC1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(N2CC(C)(C)OC(C)(C)C2)cc1Cl
InChIInChI=1S/C17H27ClN2O/c1-12(19-6)14-8-7-13(9-15(14)18)20-10-16(2,3)21-17(4,5)11-20/h7-9,12,19H,10-11H2,1-6H3
InChIKeyFLNFNJBJKILKOW-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.01
Rot. Bonds3

About 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine

1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine (PubChem CID 102744251) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine
PubChem CID102744251
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(N2CC(C)(C)OC(C)(C)C2)cc1Cl
InChIInChI=1S/C17H27ClN2O/c1-12(19-6)14-8-7-13(9-15(14)18)20-10-16(2,3)21-17(4,5)11-20/h7-9,12,19H,10-11H2,1-6H3
InChIKeyFLNFNJBJKILKOW-UHFFFAOYSA-N
XLogP4.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine (CID 102744251) is 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine is CNC(C)c1ccc(N2CC(C)(C)OC(C)(C)C2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine?
The InChIKey is FLNFNJBJKILKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-12(19-6)14-8-7-13(9-15(14)18)20-10-16(2,3)21-17(4,5)11-20/h7-9,12,19H,10-11H2,1-6H3.
What are the key properties of 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine?
1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine has a molecular weight of 310.87 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 102744251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).